Pinned

1. symbolic_rxn Public

   Integrating Deep Neural Networks and Symbolic Inference for Organic Reactivity Prediction

   Python 8 5

2. guanjq/confopt_official Public

   The official implementation of Energy-Inspired Molecular Conformation Optimization (ICLR 2022)

   Python 18 1

3. google-research/graph-attribution Public

   Codebase for Evaluating Attribution for Graph Neural Networks.

   Jupyter Notebook 58 15

4. Amino-Acid-Embedding Public

   🔬 Train an Amino Acid Embeddings (or a dragon?)

   MATLAB 15 1

5. tensorflow/tensorflow Public

   An Open Source Machine Learning Framework for Everyone

   C++ 165k 86.8k

6. deepchem/deepchem Public

   Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

   Python 3.6k 1.3k